SCHEMBL27441080

SCHEMBL27441080

CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)OCC)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTP4A1 Q93096 3/20 0.59
▸ ALDH1A1 P00352 8/20 0.57
▸ PKM P14618 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ MAPT P10636 7/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ PTP4A3 O75365 2/20 0.53
▸ PTP4A2 Q12974 2/20 0.53
▸ HPGD P15428 5/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ EGFR P00533 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PDCD1 Q15116 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27441085 1.00 PTP4A1 (0.59) PTP4A1ALDH1A1PKMHTTMAPT
SCHEMBL27441069 1.00 PTP4A1 (0.59) PTP4A1ALDH1A1PKMHTTMAPT
SCHEMBL27441062 1.00 PTP4A1 (0.59) PTP4A1ALDH1A1PKMHTTMAPT
SCHEMBL27441079 0.88 KDM4E (0.71) PTP4A1ALDH1A1PKMHTTMEN1
SCHEMBL5618664 0.87 PTP4A1 (0.70) PTP4A1ALDH1A1PKMHTTMAPT
SCHEMBL5618661 0.87 PTP4A1 (0.70) PTP4A1ALDH1A1PKMHTTMAPT
SCHEMBL27441083 0.83 EGFR (0.57) ALDH1A1PKMHTTMAPTMEN1
SCHEMBL27441088 0.83 EGFR (0.57) ALDH1A1PKMHTTMAPTMEN1
SCHEMBL27441064 0.83 EGFR (0.57) ALDH1A1PKMHTTMAPTMEN1
SCHEMBL27441075 0.83 EGFR (0.57) ALDH1A1PKMHTTMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-09 — — US disclosed
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 PTP4A1 1444/4885ALDH1A1 474/4885PKM 1506/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback